N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine

C10H16N2 — CID 139372765

IUPACN,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine
SMILESC/N=C/C1=CCC(N(C)C)C=C1
InChIInChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-6,8,10H,7H2,1-3H3/b11-8+
InChIKeyCWWHKCMDLASTKA-DHZHZOJOSA-N
MW164.25 g/mol
LogP1.50
Rot. Bonds2

About N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine

N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 139372765) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine
PubChem CID139372765
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine
SMILESC/N=C/C1=CCC(N(C)C)C=C1
InChIInChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-6,8,10H,7H2,1-3H3/b11-8+
InChIKeyCWWHKCMDLASTKA-DHZHZOJOSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine (CID 139372765) is N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine is C/N=C/C1=CCC(N(C)C)C=C1.
What is the InChIKey of N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is CWWHKCMDLASTKA-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-6,8,10H,7H2,1-3H3/b11-8+.
What are the key properties of N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine?
N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(methyliminomethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139372765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).